2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane

C14H20O3 — CID 561179

IUPAC2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1OC(C)(C)OC1COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-11-13(17-14(2,3)16-11)10-15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyDUZGYPMPHGHLIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.74
Rot. Bonds4

About 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane

2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane (PubChem CID 561179) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
PubChem CID561179
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1OC(C)(C)OC1COCc1ccccc1
InChIInChI=1S/C14H20O3/c1-11-13(17-14(2,3)16-11)10-15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyDUZGYPMPHGHLIH-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane (CID 561179) is 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane is CC1OC(C)(C)OC1COCc1ccccc1.
What is the InChIKey of 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane?
The InChIKey is DUZGYPMPHGHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-13(17-14(2,3)16-11)10-15-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane?
2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane has a molecular weight of 236.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-5-(phenylmethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 561179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).